BDBM27119 2-(1-propylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide::A-620223::ABT472::NSC733606
SMILES: CCCN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
InChI Key: InChIKey=KXSIHXHEHABEJX-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27119 (2-(1-propylpiperidin-4-yl)-1H-1,3-benzodiazole-4-c...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer... | Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27119 (2-(1-propylpiperidin-4-yl)-1H-1,3-benzodiazole-4-c...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of PARP1 by scintillation counting | J Med Chem 52: 6803-13 (2009) Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27119 (2-(1-propylpiperidin-4-yl)-1H-1,3-benzodiazole-4-c...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of PARP1 in human C41 cells after 30 mins by cell-based assay | J Med Chem 52: 6803-13 (2009) Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |